CID 119712

27761-27-9

Structural Information

Molecular Formula

C₁₅H₁₄N₃O₂

SMILES

CC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OC)[N+]#N

InChI

InChI=1S/C15H13N3O2/c1-10-8-13(18-16)14(20-2)9-12(10)17-15(19)11-6-4-3-5-7-11/h3-9H,1-2H3/p+1

InChIKey

NWJZRZVLSHYKLM-UHFFFAOYSA-O

Compound name

4-benzamido-2-methoxy-5-methylbenzenediazonium

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 147
Patents: 268.1086 Da
Monoisotopic Mass: 3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	269.11588	163.1
[M+Na]+	291.09782	177.4
[M+NH4]+	286.14242	168.4
[M+K]+	307.07176	167.9
[M-H]-	267.10132	162.3
[M+Na-2H]-	289.08327	169.7
[M]+	268.10805	164.4
[M]-	268.10915	164.4

Literature stripe

literature stripe

Patent stripe

patents stripe